Materials Data on Ba2La4CuPtO10 by Materials Project
Abstract
Ba2La4PtCuO10 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.98–3.05 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.69 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.66 Å. Pt2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+ and four La3+ atoms to form OBa2La4 octahedra that share corners with fourteen OBa2La4 octahedra and faces with four equivalent OBa2La3Pt octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to twomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1228518
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Ba2La4CuPtO10; Ba-Cu-La-O-Pt
- OSTI Identifier:
- 1687626
- DOI:
- https://doi.org/10.17188/1687626
Citation Formats
The Materials Project. Materials Data on Ba2La4CuPtO10 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1687626.
The Materials Project. Materials Data on Ba2La4CuPtO10 by Materials Project. United States. doi:https://doi.org/10.17188/1687626
The Materials Project. 2019.
"Materials Data on Ba2La4CuPtO10 by Materials Project". United States. doi:https://doi.org/10.17188/1687626. https://www.osti.gov/servlets/purl/1687626. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1687626,
title = {Materials Data on Ba2La4CuPtO10 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2La4PtCuO10 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.98–3.05 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.69 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.66 Å. Pt2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+ and four La3+ atoms to form OBa2La4 octahedra that share corners with fourteen OBa2La4 octahedra and faces with four equivalent OBa2La3Pt octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, three La3+, and one Cu2+ atom. In the third O2- site, O2- is bonded to two equivalent Ba2+, three La3+, and one Pt2+ atom to form distorted OBa2La3Pt octahedra that share corners with nine OBa2La4 octahedra, an edgeedge with one OBa2La3Pt octahedra, and faces with five OBa2La4 octahedra. The corner-sharing octahedra tilt angles range from 0–61°.},
doi = {10.17188/1687626},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}